[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl] acetate
PubChem CID: 14191351
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C12H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GPNYMDBKVQUQRW-FQOLVZPASA-N |
| Fcsp3 | 0.5833333333333334 |
| Logs | -2.343 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.643 |
| Compound Name | [(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl] acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 212.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 212.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -1.9508918 |
| Inchi | InChI=1S/C12H20O3/c1-10(7-9-15-11(2)13)6-5-8-12(3,4)14/h5,7-8,14H,6,9H2,1-4H3/b8-5+,10-7+ |
| Smiles | C/C(=C\COC(=O)C)/C/C=C/C(C)(C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dovyalis Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fritillaria Ussuriensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Jasonia Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Nephelium Mutabile (Plant) Rel Props:Source_db:cmaup_ingredients